2-Propanethiol
| Internal ID | b9e825de-5571-4274-934d-ece35e48cbab |
| Taxonomy | Organosulfur compounds > Thiols > Alkylthiols |
| IUPAC Name | propane-2-thiol |
| SMILES (Canonical) | CC(C)S |
| SMILES (Isomeric) | CC(C)S |
| InChI | InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3 |
| InChI Key | KJRCEJOSASVSRA-UHFFFAOYSA-N |
| Popularity | 275 references in papers |
| Molecular Formula | C3H8S |
| Molecular Weight | 76.16 g/mol |
| Exact Mass | 76.03467143 g/mol |
| Topological Polar Surface Area (TPSA) | 1.00 Ų |
| XlogP | 1.30 |
| Propane-2-thiol |
| ISOPROPYL MERCAPTAN |
| 75-33-2 |
| Isopropanethiol |
| Isopropylthiol |
| 2-Mercaptopropane |
| 2-Propylmercaptan |
| 1-Methylethanethiol |
| Isopropylmercaptan |
| 2-Propylthiol |
| There are more than 10 synonyms. If you wish to see them all click here. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 80.67% | 98.95% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Allium ampeloprasum |
| Allium cepa |
| Lathyrus oleraceus |
| Phaseolus vulgaris |
| Solanum lycopersicum |
| Solanum tuberosum |